CID 61412

7493-76-7

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

C=CCCCCCCCCC(=O)OCC=C

InChI

InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h3-4H,1-2,5-13H2

InChIKey

VJOZUTGJXVDWDJ-UHFFFAOYSA-N

Compound name

prop-2-enyl undec-10-enoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 95
Patents: 224.17763 Da
Monoisotopic Mass: 4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	225.184906	157.4
[M+Na]+	247.166848	162.1
[M-H]-	223.170354	156.4
[M+NH4]+	242.211453	175.8
[M+K]+	263.140788	159.4
[M+H-H2O]+	207.174890	151.7
[M+HCOO]-	269.175831	178.7
[M+CH3COO]-	283.191481	192.8
[M+Na-2H]-	245.152296	159.1
[M]+	224.17708142	161.9
[M]-	224.17817858	161.9

Literature stripe

literature stripe

Patent stripe

patents stripe